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Development of high performance scientific components for interoperability of computing packages.

, , , , , , and . SpringSim, SCS/ACM, (2009)

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A Component Architecture for High-Performance Scientific Computing, , , , , , , , , and 16 other author(s). International Journal of High Performance Computing Applications, (2006)General atomic and molecular electronic structure system., , , , , , , , , and 3 other author(s). J. Comput. Chem., 14 (11): 1347-1363 (1993)Poster reception - Component architectures for quantum chemistry: forging new capabilities and insights., , , , , , and . SC, page 137. ACM Press, (2006)Improving efficiency of semi-direct møller-plesset second-order perturbation methods through oversubscription on multiple nodes., , , and . J. Comput. Chem., 40 (24): 2146-2157 (2019)Saving time and energy with oversubscription and semi-direct Møller-Plesset second order perturbation methods., , , and . J. Comput. Chem., 38 (11): 830-841 (2017)A Component Architecture for High-Performance Scientific Computing., , , , , , , , , and 16 other author(s). Int. J. High Perform. Comput. Appl., 20 (2): 163-202 (2006)A component approach to collaborative scientific software development: Tools and techniques utilized by the Quantum Chemistry Science Application Partnership., , , , and . Sci. Program., 16 (4): 287-296 (2008)ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data., , , , and . Journal of Chemical Information and Modeling, 57 (3): 391-396 (2017)The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory., , , , , , and . Comput. Phys. Commun., 185 (3): 1074-1080 (2014)CMakePPLang: An object-oriented extension to CMake., , , , and . J. Open Source Softw., 8 (90): 5711 (October 2023)